4-[5-azanyl-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid

Systemtic Name: 4-[5-azanyl-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Openeye Name: 4-[5-amino-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid CAS Name: 4-[[5-amino-6-(4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid IUPAC Name: 4-[5-amino-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Traditional Name: 4-[5-amino-6-(4-mesylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid Formula: C17H21N5O5S MolecularWeight: 407.44414

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)O)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)O)N

InChI

InChI=1S/C17H21N5O5S/c1-28(25,26)13-4-2-11(3-5-13)21-15-14(18)16(20-10-19-15)27-12-6-8-22(9-7-12)17(23)24/h2-5,10,12H,6-9,18H2,1H3,(H,23,24)(H,19,20,21)